N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide

C15H26N6O — CID 118784620

IUPACN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C15H26N6O/c1-16-15-17-10-12(11-18-15)14(22)19-13-4-6-21(7-5-13)9-8-20(2)3/h10-11,13H,4-9H2,1-3H3,(H,19,22)(H,16,17,18)
InChIKeyQNWHQGSJXJZDAD-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.27
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide

N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 118784620) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID118784620
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC NameN-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC2CCN(CCN(C)C)CC2)cn1
InChIInChI=1S/C15H26N6O/c1-16-15-17-10-12(11-18-15)14(22)19-13-4-6-21(7-5-13)9-8-20(2)3/h10-11,13H,4-9H2,1-3H3,(H,19,22)(H,16,17,18)
InChIKeyQNWHQGSJXJZDAD-UHFFFAOYSA-N
XLogP0.27
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide (CID 118784620) is N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide is CNc1ncc(C(=O)NC2CCN(CCN(C)C)CC2)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is QNWHQGSJXJZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-16-15-17-10-12(11-18-15)14(22)19-13-4-6-21(7-5-13)9-8-20(2)3/h10-11,13H,4-9H2,1-3H3,(H,19,22)(H,16,17,18).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide?
N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 118784620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).